N-(3-methylpyridin-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(3-methylpyridin-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(3-methyl-2-pyridyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(3-methyl-2-pyridinyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methylpyridin-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(3-methyl-2-pyridyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C19H19F3N4O3 MolecularWeight: 408.37437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CC=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H19F3N4O3/c1-12-3-2-8-23-17(12)24-18(27)13-6-9-25(10-7-13)15-5-4-14(19(20,21)22)11-16(15)26(28)29/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,23,24,27)